[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine

C₁₇H₂₀N₂ — CID 105224803

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine (PubChem CID 105224803) has the molecular formula C₁₇H₂₀N₂ and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine.

Molecular Properties

• Compound Name: [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine
• PubChem CID: 105224803
• Molecular Formula: C₁₇H₂₀N₂
• Molecular Weight: 252.36 g/mol
• Exact Mass: 252.16
• IUPAC Name: [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine
• SMILES: Cc1ccc(CC(NN)C2Cc3ccccc32)cc1
• InChI: InChI=1S/C17H20N2/c1-12-6-8-13(9-7-12)10-17(19-18)16-11-14-4-2-3-5-15(14)16/h2-9,16-17,19H,10-11,18H2,1H3
• InChIKey: RNUBLWCJXRTAAF-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.36
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine?

The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine (CID 105224803) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine.

What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine?

The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine is Cc1ccc(CC(NN)C2Cc3ccccc32)cc1.

What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine?

The InChIKey is RNUBLWCJXRTAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-6-8-13(9-7-12)10-17(19-18)16-11-14-4-2-3-5-15(14)16/h2-9,16-17,19H,10-11,18H2,1H3.

What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine?

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine has a molecular weight of 252.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105224803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105224803 — identifiers, structure, computed properties (public domain)

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